General Information of the Compound
| Compound ID |
CP0561324
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| Compound Name |
US9266877, 99
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| Structure |
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| Formula |
C40H38N6O5S
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| Molecular Weight |
714.848
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| Canonical SMILES |
Cc1c(cnn1Cc1ccccc1OCC1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C40H38N6O5S/c1-25-31(21-41-46(25)22-28-7-2-4-11-34(28)51-24-26-16-19-50-20-17-26)29-13-14-36(43-37(29)39(48)49)45-18-15-27-8-6-9-30(32(27)23-45)38(47)44-40-42-33-10-3-5-12-35(33)52-40/h2-14,21,26H,15-20,22-24H2,1H3,(H,48,49)(H,42,44,47)
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| InChIKey |
XMPCYQGJBQMNTD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound